Kobophenol A - ≥99% , CAS No.124027-58-3

CAS: 124027-58-3 Cat. No.: K651148 Formule: C₅₆H₄₄O₁₃ Poids moléculaire: 924.94 PubChem CID: 484758

GRADE & PURITY ≥99%

Synonyms

E88760 | (2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxy-phenyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-2,2'-bis-(4-hydroxy-phenyl)-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol | AKOS040761955 | HY-126419 | DT

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

Kobophenol A, an oligomeric stilbene, blocks the interaction between the ACE2 receptor and S1-RBD with an IC 50 of 1.81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC 50 of 71.6 μM. Kobophenol A inhibits the activity of partially purified rat brain protein kinase C (PKC) with an IC 50 of 52 µM.

Form:Solid

Specifications

Synonymes

E88760 | (2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxy-phenyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-2,2'-bis-(4-hydroxy-phenyl)-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol | AKOS040761955 | HY-126419 | DT

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Kobophenol A, an oligomeric stilbene, blocks the interaction between the ACE2 receptor and S1-RBD with an IC 50 of 1.81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC 50 of 71.6 μM. Kobophenol A inhibits the activity of partially purified

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
• IUPAC Name: 5-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
• InChIKey: RAUCCLKIJHMTND-LUPMIFTGSA-N
• INCHI: 1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56-/m1/s1
• Isomères SMILES: C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
• CAS alternatif: 124027-58-3
• PubChem CID: 484758
• Termes d'entrée MeSH: kobophenol A
• Poids moléculaire: 924.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Linear diarylheptanoids 7,8'-epoxylignans 7,7'-epoxylignans Dibenzylbutane lignans 1-phenylcoumarans Stilbenes Resorcinols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Linear 1,7-diphenylheptane skeleton - Tetrahydrofuran lignan - 7,7p-epoxylignan - 7,8p-epoxylignan - Furanoid lignan - Dibenzylbutane lignan skeleton - 1-phenylcoumaran - Stilbene - Coumaran - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (108.12 mM; Need ultrasonic)
• Poids moléculaire: 924.900 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 924.278 Da
• Monoisotopic Mass: 924.278 Da
• Topological Polar Surface Area: 230.000 Ų
• Heavy Atom Count: 69
• Formal Charge: 0
• Complexity: 1640.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1